UCSF

ZINC43426014

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 7.52 -56.92 1 4 0 54 241.331 5
Mid Mid (pH 6-8) 1.87 5.31 -44.26 0 4 -1 53 240.323 5
Lo Low (pH 4.5-6) 1.87 5.54 -39.65 2 4 1 51 242.339 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )